# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55678717
_cell_length_b   10.96087316
_cell_length_c   46.55276076
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.08857578
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr56 Cu28'
_cell_volume   3819.21747381
_cell_formula_units_Z   28
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr1  1  0.998226  0.440099  0.336967  1
  Zr  Zr2  1  0.594485  0.466123  0.307668  1
  Zr  Zr3  1  0.322026  0.275978  0.312504  1
  Zr  Zr4  1  0.748162  0.235084  0.342113  1
  Zr  Zr5  1  0.375162  0.991942  0.294844  1
  Zr  Zr6  1  0.800424  0.950371  0.321095  1
  Zr  Zr7  1  0.131972  0.780882  0.298457  1
  Zr  Zr8  1  0.536396  0.747958  0.325556  1
  Zr  Zr9  1  0.820653  0.361439  0.400593  1
  Zr  Zr10  1  0.413255  0.398258  0.369424  1
  Zr  Zr11  1  0.156099  0.193053  0.371627  1
  Zr  Zr12  1  0.560660  0.154821  0.403337  1
  Zr  Zr13  1  0.208924  0.923594  0.353023  1
  Zr  Zr14  1  0.614383  0.881326  0.384038  1
  Zr  Zr15  1  0.949466  0.712984  0.356497  1
  Zr  Zr16  1  0.356947  0.673403  0.386147  1
  Zr  Zr17  1  0.637150  0.283571  0.463074  1
  Zr  Zr18  1  0.228561  0.321748  0.431889  1
  Zr  Zr19  1  0.969484  0.116566  0.434160  1
  Zr  Zr20  1  0.378009  0.077886  0.466040  1
  Zr  Zr21  1  0.024432  0.841637  0.415490  1
  Zr  Zr22  1  0.433035  0.801910  0.447144  1
  Zr  Zr23  1  0.763901  0.636551  0.418514  1
  Zr  Zr24  1  0.173360  0.598240  0.449880  1
  Zr  Zr25  1  0.453879  0.205961  0.525956  1
  Zr  Zr26  1  0.045228  0.244591  0.494621  1
  Zr  Zr27  1  0.786954  0.039455  0.497359  1
  Zr  Zr28  1  0.194948  1.000446  0.529025  1
  Zr  Zr29  1  0.841895  0.763712  0.478659  1
  Zr  Zr30  1  0.249736  0.725045  0.510269  1
  Zr  Zr31  1  0.582492  0.559052  0.481800  1
  Zr  Zr32  1  0.991049  0.520205  0.513227  1
  Zr  Zr33  1  0.272147  0.128521  0.588941  1
  Zr  Zr34  1  0.862465  0.167052  0.557865  1
  Zr  Zr35  1  0.603869  0.962155  0.560363  1
  Zr  Zr36  1  0.011609  0.922607  0.591863  1
  Zr  Zr37  1  0.658305  0.686554  0.541531  1
  Zr  Zr38  1  0.066282  0.647679  0.573274  1
  Zr  Zr39  1  0.399085  0.481412  0.544793  1
  Zr  Zr40  1  0.807685  0.443237  0.576082  1
  Zr  Zr41  1  0.086215  0.052010  0.650955  1
  Zr  Zr42  1  0.679163  0.091499  0.621284  1
  Zr  Zr43  1  0.420904  0.883923  0.623239  1
  Zr  Zr44  1  0.830600  0.841257  0.654452  1
  Zr  Zr45  1  0.475426  0.608024  0.604519  1
  Zr  Zr46  1  0.883607  0.570360  0.636705  1
  Zr  Zr47  1  0.215532  0.404185  0.607722  1
  Zr  Zr48  1  0.622916  0.365917  0.638868  1
  Zr  Zr49  1  0.906267  0.979128  0.709433  1
  Zr  Zr50  1  0.500012  0.012832  0.681610  1
  Zr  Zr51  1  0.237173  0.812444  0.686093  1
  Zr  Zr52  1  0.657146  0.772066  0.712246  1
  Zr  Zr53  1  0.291363  0.531650  0.667453  1
  Zr  Zr54  1  0.701862  0.492417  0.695969  1
  Zr  Zr55  1  0.036215  0.326264  0.671507  1
  Zr  Zr56  1  0.443867  0.286572  0.699459  1
  Cu  Cu57  1  0.271936  0.581201  0.329834  1
  Cu  Cu58  1  0.849397  0.643193  0.302566  1
  Cu  Cu59  1  0.055607  0.118327  0.314950  1
  Cu  Cu60  1  0.624743  0.155573  0.292852  1
  Cu  Cu61  1  0.089444  0.517126  0.393571  1
  Cu  Cu62  1  0.683105  0.554709  0.361463  1
  Cu  Cu63  1  0.885806  0.036644  0.377247  1
  Cu  Cu64  1  0.487163  0.079439  0.345692  1
  Cu  Cu65  1  0.905388  0.441367  0.456753  1
  Cu  Cu66  1  0.495525  0.480217  0.425519  1
  Cu  Cu67  1  0.701061  0.958814  0.440815  1
  Cu  Cu68  1  0.292969  0.997472  0.409849  1
  Cu  Cu69  1  0.722419  0.362758  0.519671  1
  Cu  Cu70  1  0.313671  0.402694  0.488193  1
  Cu  Cu71  1  0.518283  0.882166  0.503736  1
  Cu  Cu72  1  0.109855  0.920676  0.472196  1
  Cu  Cu73  1  0.539871  0.286046  0.582478  1
  Cu  Cu74  1  0.130758  0.324356  0.551209  1
  Cu  Cu75  1  0.335975  0.804404  0.566861  1
  Cu  Cu76  1  0.926624  0.843500  0.535293  1
  Cu  Cu77  1  0.350658  0.208515  0.645874  1
  Cu  Cu78  1  0.947109  0.248744  0.614395  1
  Cu  Cu79  1  0.152542  0.726120  0.630082  1
  Cu  Cu80  1  0.743094  0.765100  0.598031  1
  Cu  Cu81  1  0.185196  0.117704  0.705065  1
  Cu  Cu82  1  0.767687  0.179088  0.677742  1
  Cu  Cu83  1  0.974764  0.647435  0.692758  1
  Cu  Cu84  1  0.553703  0.687741  0.660458  1
